1-(3-methyl-1-benzofuran-2-yl)-N-[2-(oxolan-3-yl)ethyl]ethanamine

C17H23NO2 — CID 104538015

IUPAC1-(3-methyl-1-benzofuran-2-yl)-N-[2-(oxolan-3-yl)ethyl]ethanamine
SMILESCc1c(C(C)NCCC2CCOC2)oc2ccccc12
InChIInChI=1S/C17H23NO2/c1-12-15-5-3-4-6-16(15)20-17(12)13(2)18-9-7-14-8-10-19-11-14/h3-6,13-14,18H,7-11H2,1-2H3
InChIKeyPYLHQBXRCQTYFZ-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.82
Rot. Bonds5

About 1-(3-methyl-1-benzofuran-2-yl)-N-[2-(oxolan-3-yl)ethyl]ethanamine

1-(3-methyl-1-benzofuran-2-yl)-N-[2-(oxolan-3-yl)ethyl]ethanamine (PubChem CID 104538015) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 1-(3-methyl-1-benzofuran-2-yl)-N-[2-(oxolan-3-yl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(3-methyl-1-benzofuran-2-yl)-N-[2-(oxolan-3-yl)ethyl]ethanamine
PubChem CID104538015
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name1-(3-methyl-1-benzofuran-2-yl)-N-[2-(oxolan-3-yl)ethyl]ethanamine
SMILESCc1c(C(C)NCCC2CCOC2)oc2ccccc12
InChIInChI=1S/C17H23NO2/c1-12-15-5-3-4-6-16(15)20-17(12)13(2)18-9-7-14-8-10-19-11-14/h3-6,13-14,18H,7-11H2,1-2H3
InChIKeyPYLHQBXRCQTYFZ-UHFFFAOYSA-N
XLogP3.82
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-N-[2-(1,3-dioxolan-2-yl)ethyl]-1-(3-methyl-1-benzofuran-2-yl)ethanamine
CID 124571843
N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]propan-1-amine
CID 43754997
N-[(1R)-1-(3-methyl-1-benzofuran-2-yl)ethyl]-3-(oxan-4-yl)propanamide
CID 119048266
1-(2,6-difluorophenyl)-N-[2-(oxolan-3-yl)ethyl]ethanamine
CID 113411965
1-(3,4-dimethylphenyl)-N-[2-(oxolan-3-yl)ethyl]ethanamine
CID 113424522
N-[(1S)-1-(3-methyl-1-benzofuran-2-yl)ethyl]oxane-4-carboxamide
CID 99833499
N-methyl-2-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]ethanesulfonamide
CID 102676059
2-[2-[1-(3-methyl-1-benzofuran-2-yl)ethylamino]ethoxy]ethanol
CID 43771437
2,2,2-trifluoro-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]ethanamine
CID 43755050
N-(dicyclopropylmethyl)-1-(3-methyl-1-benzofuran-2-yl)ethanamine
CID 43768499
2-methyl-N-[1-(3-methyl-1-benzofuran-2-yl)ethyl]prop-2-en-1-amine
CID 104578826
(1S)-1-(3-methyl-1-benzofuran-2-yl)-N-(pyrimidin-5-ylmethyl)ethanamine
CID 99834293

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-1-benzofuran-2-yl)-N-[2-(oxolan-3-yl)ethyl]ethanamine?
The IUPAC name of 1-(3-methyl-1-benzofuran-2-yl)-N-[2-(oxolan-3-yl)ethyl]ethanamine (CID 104538015) is 1-(3-methyl-1-benzofuran-2-yl)-N-[2-(oxolan-3-yl)ethyl]ethanamine.
What is the SMILES notation for 1-(3-methyl-1-benzofuran-2-yl)-N-[2-(oxolan-3-yl)ethyl]ethanamine?
The canonical SMILES for 1-(3-methyl-1-benzofuran-2-yl)-N-[2-(oxolan-3-yl)ethyl]ethanamine is Cc1c(C(C)NCCC2CCOC2)oc2ccccc12.
What is the InChIKey of 1-(3-methyl-1-benzofuran-2-yl)-N-[2-(oxolan-3-yl)ethyl]ethanamine?
The InChIKey is PYLHQBXRCQTYFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-12-15-5-3-4-6-16(15)20-17(12)13(2)18-9-7-14-8-10-19-11-14/h3-6,13-14,18H,7-11H2,1-2H3.
What are the key properties of 1-(3-methyl-1-benzofuran-2-yl)-N-[2-(oxolan-3-yl)ethyl]ethanamine?
1-(3-methyl-1-benzofuran-2-yl)-N-[2-(oxolan-3-yl)ethyl]ethanamine has a molecular weight of 273.38 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-1-benzofuran-2-yl)-N-[2-(oxolan-3-yl)ethyl]ethanamine is sourced from PubChem (CID 104538015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).